UCSF

ZINC03861261

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 26 No

Popular Name: S-TRITYL-L-CYSTEINE S-TRITYL-L-CYSTEINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25840-82-8 , 2799-07-7 , 2799-7-7 , 7/7/2799 12:00:00 AM

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 10.42 -37.92 3 3 0 67 363.482 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 182-183 °C (dec.)(lit.) Indofine
MP 182° (dec) Matrix Scientific
MP 195 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Melting_Point ca 185? dec. Alfa-Aesar
Melting_Point ca 185° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIF11-2-E Kinesin-like Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 620 0.33 Binding ≤ 10μM
KIF11-1-E Kinesin-like Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.31 Functional ≤ 10μM
Z81247-2-O HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other Other 700 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 140 0.37 Binding ≤ 1μM
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 140 0.37 Binding ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 1700 0.31 Functional ≤ 10μM
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 1800 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Kinesins
MHC class II antigen presentation

Analogs ( Draw Identity 99% 90% 80% 70% )